SCHEMBL10443280

SCHEMBL10443280

CCC(C(=O)C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
RAB9A P51151 1/20 0.39
ALOX5 P09917 1/20 0.39
CNR2 P34972 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25377657 0.85 KMT2A (0.53) KMT2ACYP1A2ALDH1A1LMNAHSD17B10
SCHEMBL6766 0.85 KMT2A (0.53) KMT2ACYP1A2ALDH1A1LMNAHSD17B10
SCHEMBL9680703 0.84 CYP1A2 (0.48) KMT2ACYP1A2SMN1; SMN2LMNAHSD17B10
SCHEMBL9872058 0.83 ALDH1A1 (0.53) KMT2ACYP1A2SMN1; SMN2ALDH1A1MEN1
SCHEMBL710418 0.82 LMNA (0.56) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL27721904 0.82 KMT2A (0.41) KMT2ACYP1A2SMN1; SMN2KDM4EALDH1A1
SCHEMBL27835623 0.82 KMT2A (0.41) KMT2ACYP1A2SMN1; SMN2KDM4EALDH1A1
SCHEMBL10443324 0.81 KCNQ2 (0.43) KMT2AKDM4EALDH1A1MEN1TDP1
SCHEMBL1289928 0.81 CYP2C9 (0.48) KMT2ACYP1A2ALDH1A1MEN1TDP1
SCHEMBL10443246 0.81 CRHBP (0.54) KMT2AALDH1A1MEN1TDP1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 EP disclosed